5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one

C20H19N5O4 — CID 90357590

IUPAC5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1nccc2oc(-c3cnc4ccc(OCCC5CCC(=O)N5)nn34)cc12
InChIInChI=1S/C20H19N5O4/c1-27-20-13-10-16(29-15(13)6-8-21-20)14-11-22-17-3-5-19(24-25(14)17)28-9-7-12-2-4-18(26)23-12/h3,5-6,8,10-12H,2,4,7,9H2,1H3,(H,23,26)
InChIKeyZELYLRBKTGSWET-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.59
Rot. Bonds6

About 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one

5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 90357590) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
PubChem CID90357590
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1nccc2oc(-c3cnc4ccc(OCCC5CCC(=O)N5)nn34)cc12
InChIInChI=1S/C20H19N5O4/c1-27-20-13-10-16(29-15(13)6-8-21-20)14-11-22-17-3-5-19(24-25(14)17)28-9-7-12-2-4-18(26)23-12/h3,5-6,8,10-12H,2,4,7,9H2,1H3,(H,23,26)
InChIKeyZELYLRBKTGSWET-UHFFFAOYSA-N
XLogP2.59
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one (CID 90357590) is 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one is COc1nccc2oc(-c3cnc4ccc(OCCC5CCC(=O)N5)nn34)cc12.
What is the InChIKey of 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZELYLRBKTGSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-27-20-13-10-16(29-15(13)6-8-21-20)14-11-22-17-3-5-19(24-25(14)17)28-9-7-12-2-4-18(26)23-12/h3,5-6,8,10-12H,2,4,7,9H2,1H3,(H,23,26).
What are the key properties of 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one?
5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 393.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 90357590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).